3-(Ethoxycarbonyl)-5-(methoxycarbonyl)-4-(3-methoxy-3-oxopropyl)-1h-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 3-(Ethoxycarbonyl)-5-(methoxycarbonyl)-4-(3-methoxy-3-oxopropyl)-1h-pyrrole-2-carboxylic acid
• CAS No.: 6333-20-6
• Molecular Formula: C14H17NO8
• Molecular Weight: 327.2867
• NSC Number: 38678
• DSSTox Substance ID: DTXSID00284722
• Wikidata: Q82019809

Synonyms:6333-20-6;3-(Ethoxycarbonyl)-4-(3-methoxy-3-oxopropyl)-5-(methoxycarbonyl)-1H-pyrrole-2-carboxylic acid;3-(ethoxycarbonyl)-5-(methoxycarbonyl)-4-(3-methoxy-3-oxopropyl)-1h-pyrrole-2-carboxylic acid;NSC38678;DTXSID00284722;NSC-38678

Chemical Property of 3-(Ethoxycarbonyl)-5-(methoxycarbonyl)-4-(3-methoxy-3-oxopropyl)-1h-pyrrole-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.18E-13mmHg at 25°C
• Boiling Point: 551.8°Cat760mmHg
• Flash Point: 287.5°C
• Density: 1.353g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 327.09541650
• Heavy Atom Count: 23
• Complexity: 477

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=C1CCC(=O)OC)C(=O)OC)C(=O)O

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